ethyl 4-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-(3-carbamoyl-1-pyridin-1-iumyl)-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H20N3O4+ MolecularWeight: 330.3584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)C[N+]2=CC=CC(=C2)C(=O)N)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)C[N+]2=CC=CC(=C2)C(=O)N)C)C

InChI

InChI=1S/C17H19N3O4/c1-4-24-17(23)15-11(3)19-10(2)14(15)13(21)9-20-7-5-6-12(8-20)16(18)22/h5-8H,4,9H2,1-3H3,(H2-,18,19,21,22,23)/p+1